Molecule card · MolClass #46806
860333
860333: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.
1 source records · 0 model builds with saved results
Explore classification modelsStructure and identifiers
- Imported compound names
- 860333Mitochondrial Fusion · compound_name
- MolClass ID
- 46806
- InChIKey
- GEFSRBGKUVJSSJ-UHFFFAOYSA-N
- Canonical SMILES
- CC2CCc3cc(F)cc4C(O)=C(C(=O)NCC1CCCO1)C(=O)N2c34
- Standard InChI
- InChI=1S/C19H21FN2O4/c1-10-4-5-11-7-12(20)8-14-16(11)22(10)19(25)15(17(14)23)18(24)21-9-13-3-2-6-26-13/h7-8,10,13,23H,2-6,9H2,1H3,(H,21,24)
- Stored Murcko scaffold
- O1CCCC1CN[CH]C2=Cc3cccc4c3N([CH]2)CCC4
Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.
Molecules with the same Murcko scaffold
Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.
No other molecules currently have this stored scaffold.
Calculated molecular properties
Stored descriptor calculations, not measured experimental values.
- Hydrogen bond acceptors
- 6
- CDK 2.12 · 2026-08-19
- Hydrogen bond donors
- 2
- CDK 2.12 · 2026-08-19
- Rotatable bonds
- 4
- CDK 2.12 · 2026-08-19
- Topological polar surface area
- 78.87 Ų
- CDK 2.12 · 2026-08-19
- Molecular weight
- 360.38 g/mol
- CDK 2.12 · 2026-08-19
- XLogP
- 3.092
- CDK 2.12 · 2026-08-19
Saved model predictions
Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.
No saved predictions yet. Explore classification models to choose a prediction.
Source datasets
Dataset registrations and identifiers stored in MolClass.
Mitochondrial Fusion
Dataset #19 · 860333